N-[[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]methyl]cyclopropanamine

C12H14N4 — CID 116898651

IUPACN-[[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]methyl]cyclopropanamine
SMILESc1cc(-c2cc[nH]c2)nc(CNC2CC2)n1
InChIInChI=1S/C12H14N4/c1-2-10(1)15-8-12-14-6-4-11(16-12)9-3-5-13-7-9/h3-7,10,13,15H,1-2,8H2
InChIKeySNQZNRCPOKYKMA-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.72
Rot. Bonds4

About N-[[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]methyl]cyclopropanamine

N-[[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]methyl]cyclopropanamine (PubChem CID 116898651) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is N-[[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]methyl]cyclopropanamine
PubChem CID116898651
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC NameN-[[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]methyl]cyclopropanamine
SMILESc1cc(-c2cc[nH]c2)nc(CNC2CC2)n1
InChIInChI=1S/C12H14N4/c1-2-10(1)15-8-12-14-6-4-11(16-12)9-3-5-13-7-9/h3-7,10,13,15H,1-2,8H2
InChIKeySNQZNRCPOKYKMA-UHFFFAOYSA-N
XLogP1.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine
CID 116898986
N-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine
CID 63318876
N-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898654
N-[[4-(2-fluorophenyl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898661
2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid
CID 84664586
N-[[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898658
N-(1H-pyrrol-3-ylmethyl)cyclobutanamine
CID 66409637
N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749177
N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine
CID 55114202
4-[[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]cyclohexan-1-ol
CID 116972281
4-(1H-pyrrol-3-ylmethylamino)cyclohexane-1-carboxylic acid
CID 115149093
N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749345

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]methyl]cyclopropanamine (CID 116898651) is N-[[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]methyl]cyclopropanamine is c1cc(-c2cc[nH]c2)nc(CNC2CC2)n1.
What is the InChIKey of N-[[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]methyl]cyclopropanamine?
The InChIKey is SNQZNRCPOKYKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-10(1)15-8-12-14-6-4-11(16-12)9-3-5-13-7-9/h3-7,10,13,15H,1-2,8H2.
What are the key properties of N-[[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]methyl]cyclopropanamine?
N-[[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]methyl]cyclopropanamine has a molecular weight of 214.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116898651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).